SCHEMBL9763073

SCHEMBL9763073

O=CNc1ccc(CCOCCCCCCN(Cc2ccccc2)C(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
CES1 P23141 3/20 0.39
HTR5A P47898 3/20 0.37
REN P00797 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9763575 0.86 SPHK1 (0.43) FAAHCES1HTR5ASPHK1
SCHEMBL9762903 0.85 FAAH (0.42) FAAHCES1LPAR1LPAR5
SCHEMBL9763406 0.81 FAAH (0.46) FAAHCES1LPAR1LPAR5
SCHEMBL9762547 0.81 KCNH2 (0.53) FAAHCES1
SCHEMBL9763598 0.80 FFAR4 (0.43)
SCHEMBL9762900 0.79 FAAH (0.38) FAAHCES1EGFRERBB2
SCHEMBL9764529 0.78 L3MBTL1 (0.45)
SCHEMBL9763654 0.78 FAAH (0.39) FAAHCES1LPAR1LPAR5
SCHEMBL9763665 0.75 SNCA (0.44)
SCHEMBL9763263 0.75 L3MBTL1 (0.45) FAAHCES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed